General Information of the Compound
| Compound ID |
CP0476324
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| Compound Name |
3-chloro-5-[4-(5-cyclobutylsulfonyl-1H-1,2,4-triazol-3-yl)-2-methoxyphenyl]-2-(2-methylpropoxy)pyridine
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| Structure |
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| Formula |
C22H25ClN4O4S
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| Molecular Weight |
476.986
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(OCC(C)C)c(Cl)c1)-c1nnc([nH]1)S(=O)(=O)C1CCC1
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| InChI |
InChI=1S/C22H25ClN4O4S/c1-13(2)12-31-21-18(23)9-15(11-24-21)17-8-7-14(10-19(17)30-3)20-25-22(27-26-20)32(28,29)16-5-4-6-16/h7-11,13,16H,4-6,12H2,1-3H3,(H,25,26,27)
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| InChIKey |
IPLBYUOAYWBSGB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha